N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

C15H19BrN4O — CID 103122741

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC1CCC(CBr)(NC(=O)c2cnn3ccncc23)CC1
InChIInChI=1S/C15H19BrN4O/c1-11-2-4-15(10-16,5-3-11)19-14(21)12-8-18-20-7-6-17-9-13(12)20/h6-9,11H,2-5,10H2,1H3,(H,19,21)
InChIKeyUVROBGRRVUSYDU-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103122741) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103122741
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC1CCC(CBr)(NC(=O)c2cnn3ccncc23)CC1
InChIInChI=1S/C15H19BrN4O/c1-11-2-4-15(10-16,5-3-11)19-14(21)12-8-18-20-7-6-17-9-13(12)20/h6-9,11H,2-5,10H2,1H3,(H,19,21)
InChIKeyUVROBGRRVUSYDU-UHFFFAOYSA-N
XLogP2.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104630791
N-(1-cyanocyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117747
N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117754
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
N-[1-[[(3-methoxy-2-methylpropanoyl)amino]methyl]cyclopentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167817041
N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117901
3-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiolane-3-carboxylic acid
CID 103116686
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 113275709
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 99779011

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103122741) is N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is CC1CCC(CBr)(NC(=O)c2cnn3ccncc23)CC1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is UVROBGRRVUSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-11-2-4-15(10-16,5-3-11)19-14(21)12-8-18-20-7-6-17-9-13(12)20/h6-9,11H,2-5,10H2,1H3,(H,19,21).
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103122741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).